CID 9861019

128018-44-0

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1[C@@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1
InChIKey
DURMMNMFHRIMJD-DLBZAZTESA-N
Compound name
benzyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

489
Patents

297.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 172.5
[M+Na]+ 320.12572 186.4
[M+NH4]+ 315.17032 180.7
[M+K]+ 336.09966 180.8
[M-H]- 296.12922 185.9
[M+Na-2H]- 318.11117 183.4
[M]+ 297.13595 179.4
[M]- 297.13705 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.